5VBU
Crystal Structure of Human Cytochrome P450 21A2 Hydroxyprogesterone Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-07-10 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.97857 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 152.431, 88.385, 111.417 |
| Unit cell angles | 90.00, 102.37, 90.00 |
Refinement procedure
| Resolution | 108.830 - 3.310 |
| R-factor | 0.1945 |
| Rwork | 0.191 |
| R-free | 0.24106 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.194 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 108.830 | 3.420 |
| High resolution limit [Å] | 3.310 | 3.310 |
| Rmerge | 0.114 | 0.866 |
| Rpim | 0.060 | 0.456 |
| Number of reflections | 19819 | 1982 |
| <I/σ(I)> | 11.79 | 1.51 |
| Completeness [%] | 92.3 | 93.2 |
| Redundancy | 4.5 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7 | 291 | 0.2M Ammonium citrate tribasic pH 7.0, 20% W/V PEG 3350 |
